2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide

C14H10ClF3N2O5S — CID 26951385

IUPAC2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3N2O5S/c1-25-12-5-3-9(20(21)22)7-11(12)19-26(23,24)13-6-8(14(16,17)18)2-4-10(13)15/h2-7,19H,1H3
InChIKeyAFIVZPBEQVLLOZ-UHFFFAOYSA-N
MW410.76 g/mol
LogP4.08
Rot. Bonds5

About 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 26951385) has the molecular formula C14H10ClF3N2O5S and a molecular weight of 410.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID26951385
Molecular FormulaC14H10ClF3N2O5S
Molecular Weight410.76 g/mol
Exact Mass410.00
IUPAC Name2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3N2O5S/c1-25-12-5-3-9(20(21)22)7-11(12)19-26(23,24)13-6-8(14(16,17)18)2-4-10(13)15/h2-7,19H,1H3
InChIKeyAFIVZPBEQVLLOZ-UHFFFAOYSA-N
XLogP4.08
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 1319525
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 2457636
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide (CID 26951385) is 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AFIVZPBEQVLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O5S/c1-25-12-5-3-9(20(21)22)7-11(12)19-26(23,24)13-6-8(14(16,17)18)2-4-10(13)15/h2-7,19H,1H3.
What are the key properties of 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 410.76 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26951385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).